1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine

C9H18F2N2 — CID 58366788

IUPAC1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-8(2)13-5-3-12(4-6-13)7-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyGTWSFAZVNDTUQI-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.28
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine

1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine (PubChem CID 58366788) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine
PubChem CID58366788
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-8(2)13-5-3-12(4-6-13)7-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyGTWSFAZVNDTUQI-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine (CID 58366788) is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine?
The InChIKey is GTWSFAZVNDTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-8(2)13-5-3-12(4-6-13)7-9(10)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine?
1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine has a molecular weight of 192.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 58366788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).